Thermodynamics of Alkanethiol Self-Assembled Monolayer Assembly on Pd Surfaces

We investigate the structure and binding energy of alkanethiolate self-assembled monolayers (SAMs) on Pd (111), Pd (100), and Pd (110) facets at different coverages. Dispersion-corrected density functional theory calculations are used to correlate the binding energy of alkanethiolates with alkyl cha...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1992. - 34(2018), 22 vom: 05. Juni, Seite 6346-6357
1. Verfasser: Kumar, Gaurav (VerfasserIn)
Weitere Verfasser: Van Cleve, Timothy, Park, Jiyun, van Duin, Adri, Medlin, J Will, Janik, Michael J
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2018
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article Research Support, U.S. Gov't, Non-P.H.S.